benzyl (Z)-4-fluoropent-3-enoate

C12H13FO2 — CID 102299153

IUPACbenzyl (Z)-4-fluoropent-3-enoate
SMILESC/C(F)=C/CC(=O)OCc1ccccc1
InChIInChI=1S/C12H13FO2/c1-10(13)7-8-12(14)15-9-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3/b10-7-
InChIKeyGIWATQDJVRCNSK-YFHOEESVSA-N
MW208.23 g/mol
LogP2.99
Rot. Bonds4

About benzyl (Z)-4-fluoropent-3-enoate

benzyl (Z)-4-fluoropent-3-enoate (PubChem CID 102299153) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is benzyl (Z)-4-fluoropent-3-enoate.

Molecular Properties

Compound Namebenzyl (Z)-4-fluoropent-3-enoate
PubChem CID102299153
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Namebenzyl (Z)-4-fluoropent-3-enoate
SMILESC/C(F)=C/CC(=O)OCc1ccccc1
InChIInChI=1S/C12H13FO2/c1-10(13)7-8-12(14)15-9-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3/b10-7-
InChIKeyGIWATQDJVRCNSK-YFHOEESVSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl but-3-enoate
CID 11019385
benzyl acetate
CID 8785
benzyl propanoate;hydrochloride
CID 140986165
benzyl 2-aminoacetate
CID 122130027
benzyl (3E)-hexa-3,5-dienoate
CID 101344578
benzyl (3S)-3-hydroxypentanoate
CID 131888436
benzyl (E)-3-chlorobut-2-enoate
CID 122382753
benzyl acetate;molecular nitrogen
CID 174861862
benzyl acetate;carbamic acid
CID 159542161
benzyl 2-aminoacetate;hydrochloride
CID 11701227
(2-oxo-2-phenylmethoxyethyl)azanium
CID 3684791
benzyl 2-chloroacetate
CID 8786

Frequently Asked Questions

What is the IUPAC name of benzyl (Z)-4-fluoropent-3-enoate?
The IUPAC name of benzyl (Z)-4-fluoropent-3-enoate (CID 102299153) is benzyl (Z)-4-fluoropent-3-enoate.
What is the SMILES notation for benzyl (Z)-4-fluoropent-3-enoate?
The canonical SMILES for benzyl (Z)-4-fluoropent-3-enoate is C/C(F)=C/CC(=O)OCc1ccccc1.
What is the InChIKey of benzyl (Z)-4-fluoropent-3-enoate?
The InChIKey is GIWATQDJVRCNSK-YFHOEESVSA-N. The full InChI is InChI=1S/C12H13FO2/c1-10(13)7-8-12(14)15-9-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3/b10-7-.
What are the key properties of benzyl (Z)-4-fluoropent-3-enoate?
benzyl (Z)-4-fluoropent-3-enoate has a molecular weight of 208.23 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (Z)-4-fluoropent-3-enoate is sourced from PubChem (CID 102299153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).